N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride

C13H16ClN5O2 — CID 119762398

IUPACN-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-n2ccnn2)cc1)C1CNCCO1
InChIInChI=1S/C13H15N5O2.ClH/c19-13(12-9-14-6-8-20-12)16-10-1-3-11(4-2-10)18-7-5-15-17-18;/h1-5,7,12,14H,6,8-9H2,(H,16,19);1H
InChIKeyNKURUFNTVIWNGV-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.62
Rot. Bonds3

About N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119762398) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119762398
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC NameN-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-n2ccnn2)cc1)C1CNCCO1
InChIInChI=1S/C13H15N5O2.ClH/c19-13(12-9-14-6-8-20-12)16-10-1-3-11(4-2-10)18-7-5-15-17-18;/h1-5,7,12,14H,6,8-9H2,(H,16,19);1H
InChIKeyNKURUFNTVIWNGV-UHFFFAOYSA-N
XLogP0.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-(4-cyclopentyloxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119714810
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
CID 119858998
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799

Frequently Asked Questions

What is the IUPAC name of N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119762398) is N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-n2ccnn2)cc1)C1CNCCO1.
What is the InChIKey of N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is NKURUFNTVIWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.ClH/c19-13(12-9-14-6-8-20-12)16-10-1-3-11(4-2-10)18-7-5-15-17-18;/h1-5,7,12,14H,6,8-9H2,(H,16,19);1H.
What are the key properties of N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119762398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).